(+)-Valiolamine

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Properties Simple | Detailed

Formula C7H15NO5
IUPAC Name (1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Molecular Mass 193.198 g·mol−1
Heat of Formation -990.3 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 221.02 Å 3
Surface Area 199.62 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,4s,5s)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
  • (1s,2s,3r,4s,5s)-5-amino-1-methylol-cyclohexane-1,2,3,4-tetrol
  • 4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-d-epi-inositol hydrate
  • d-epi-inositol, 4-amino-3,4-dideoxy-2-c-(hydroxymethyl)-, hydrate
  • valiolamine
  • valiolamine hydrate
CAS Number(s)
  • 83465-22-9
InChIKey VDLOJRUTNRJDJO-ZYNSJIGGSA-N
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